NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 86 R 4.2967 8.2544 117.2823 55.3546 31.3707 174.9238 87 R 3.9311 7.8182 119.8006 55.3076 30.6804 174.1717 88 Y 4.1698 8.6751 126.3504 57.5625 40.5178 174.2818 89 R 4.5309 7.1192 124.5188 54.8168 33.4190 174.3106 90 T 4.1894 8.1061 120.5478 62.1937 70.0197 174.5510 91 T 4.2031 7.7418 113.9696 59.5247 70.3789 173.6889 92 F 4.6469 8.3352 125.9944 56.7295 39.9616 176.3953 93 T 4.0765 8.6225 115.6970 61.9455 70.4230 175.5772 94 S 4.1879 8.9574 119.5117 62.2433 62.8295 176.8615 95 F 4.5169 8.5466 124.1717 60.8598 39.1765 176.9547 96 Q 3.4041 7.8194 116.3617 58.9796 28.4943 177.7131 97 L 3.5382 8.1844 122.8858 58.2772 42.0308 179.0311 98 E 3.9963 8.3183 116.9362 58.9249 29.6405 178.9186 99 E 3.8289 7.6703 119.9253 59.2852 29.4065 178.9685 100 L 3.5659 7.5246 119.2235 57.7533 41.4348 179.5370 101 E 4.1139 7.6154 118.0166 59.2388 29.1371 179.3727 102 K 4.1183 8.4194 120.9938 58.9094 32.3051 178.7519 103 A 4.0700 8.5471 121.4952 55.2054 18.0830 179.4047 104 F 4.9017 8.7542 120.0873 61.0357 39.6635 177.1477 105 S 4.1798 8.2664 113.9216 61.5220 62.3680 176.7143 106 R 3.9405 7.6036 121.0268 57.6099 30.4755 176.6891 107 T 4.5741 7.5726 107.9306 60.1254 71.9489 174.7077 108 H 4.3311 8.5680 120.9059 58.1245 29.5635 175.6343 109 Y 4.6894 7.4496 115.9987 55.5634 37.4639 173.6214 110 P 4.2813 0.0000 0.0000 62.4732 32.6740 177.4485 111 D 4.6102 8.2470 120.5625 52.3142 42.0781 177.5821 112 V 3.3492 7.7965 118.0323 66.3141 31.3437 177.7583 113 F 4.4514 7.3062 116.6972 60.8479 38.6311 177.7120 114 T 4.1878 8.4747 117.1701 66.1572 68.2465 177.0729 115 R 3.8275 7.8452 120.0560 59.2371 30.0138 178.0034 116 E 3.8287 8.7068 119.0457 59.9547 28.9713 178.4516 117 E 3.9125 8.4103 118.5673 59.2940 29.6339 178.9792 118 L 3.9095 8.1644 120.0877 58.1908 42.2423 178.7148 119 A 3.9753 8.5297 121.0323 55.5516 18.0850 179.3217 120 M 4.0323 8.1694 115.7554 58.2711 32.3078 178.0089 121 K 4.2475 7.6345 119.7922 58.2602 32.4995 177.9313 122 I 4.6351 7.7989 110.8666 59.2494 39.3559 175.9052 123 G 3.9951 8.1174 108.1505 46.4364 0.0000 172.1512 124 L 4.6982 8.4076 120.3236 52.9016 47.0771 176.3398 125 T 4.3385 8.2544 110.2883 61.0787 71.0910 175.0867 126 E 3.9158 8.8669 123.8574 59.5725 29.6450 178.9533 127 A 4.0092 8.0752 120.0576 55.4444 18.3578 179.3527 128 R 4.0600 8.1020 116.3571 59.8788 30.1575 179.3834 129 I 3.9068 7.8620 119.0034 64.4555 37.2370 178.1611 130 Q 4.0954 8.8711 120.8264 59.2221 28.7917 178.8380 131 V 3.6244 8.1103 119.2145 65.6466 31.5817 177.4582 132 W 4.0918 8.5388 128.4764 60.9437 30.3618 177.9868 133 F 3.7911 9.1101 117.6526 60.3194 38.3498 177.7373 134 Q 3.9770 8.0131 117.6104 59.0940 28.4595 178.6825 135 N 4.1947 8.0282 117.3983 56.1918 38.4926 177.6040 136 R 3.1694 7.3277 120.3865 59.0964 29.8653 178.8087 137 R 3.7898 7.8770 117.9861 58.9496 29.7347 178.9385 138 A 4.0109 7.3737 119.6219 54.8755 18.5234 179.3274 139 K 3.9671 8.2072 118.5707 59.3469 32.2264 178.7952 140 W 4.0934 8.3800 128.9379 60.5874 30.3345 177.9000 141 R 4.1759 8.1242 118.1361 58.6668 29.6731 177.6940 142 K 4.3484 7.6133 116.3159 57.2763 33.2845 177.0030 143 Q 4.3454 7.5894 114.5705 55.7113 30.3950 175.4385 144 E 4.0790 7.8400 116.3665 55.8135 30.5216 175.6633 145 K 3.7688 6.9275 120.5084 54.5165 33.0329 176.3540 146 V 3.6834 8.3541 124.7210 63.4545 31.2797 175.3661 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 86 R 8.25 4.30 0.00 1.96 2.12 0.00 3.17 0.00 0.00 3.23 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.59 0.00 87 R 7.82 3.93 0.00 1.90 1.89 0.00 3.26 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.73 0.00 88 Y 8.68 4.17 0.00 2.93 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 R 7.12 4.53 0.00 1.61 1.48 0.00 3.18 0.00 0.00 3.13 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.55 0.00 90 T 8.11 4.19 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 91 T 7.74 4.20 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 92 F 8.34 4.65 0.00 3.03 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 T 8.62 4.08 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 94 S 8.96 4.19 0.00 3.95 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 F 8.55 4.52 0.00 3.08 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 Q 7.82 3.40 0.00 2.27 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.48 0.00 0.00 0.00 0.00 0.00 2.49 2.54 0.00 97 L 8.18 3.54 0.00 1.98 1.87 0.97 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 98 E 8.32 4.00 0.00 2.21 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.28 0.00 99 E 7.67 3.83 0.00 1.73 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.47 0.00 100 L 7.52 3.57 0.00 0.60 0.13 -0.22 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 101 E 7.62 4.11 0.00 2.03 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 102 K 8.42 4.12 0.00 1.88 1.94 0.00 1.82 0.00 0.00 1.75 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.32 7.81 103 A 8.55 4.07 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 F 8.75 4.90 0.00 3.13 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 S 8.27 4.18 0.00 4.13 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 R 7.60 3.94 0.00 1.96 2.01 0.00 3.31 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 107 T 7.57 4.57 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 108 H 8.57 4.33 0.00 2.87 2.88 0.00 5.65 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 Y 7.45 4.69 0.00 2.95 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 P 0.00 4.28 0.00 1.88 1.81 0.00 3.44 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.50 0.00 111 D 8.25 4.61 0.00 2.82 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 V 7.80 3.35 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.47 0.00 0.00 113 F 7.31 4.45 0.00 3.15 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 T 8.47 4.19 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 115 R 7.85 3.83 0.00 1.89 1.92 0.00 2.97 0.00 0.00 2.77 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.68 0.00 116 E 8.71 3.83 0.00 2.26 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.44 0.00 117 E 8.41 3.91 0.00 2.10 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.50 0.00 118 L 8.16 3.91 0.00 1.98 1.72 0.94 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 119 A 8.53 3.98 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 M 8.17 4.03 0.00 2.04 2.28 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.71 0.00 121 K 7.63 4.25 0.00 2.01 1.93 0.00 1.92 0.00 0.00 1.87 0.00 0.00 3.18 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.49 1.61 7.81 122 I 7.80 4.64 1.79 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.77 0.68 0.00 0.00 123 G 8.12 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 L 8.41 4.70 0.00 1.65 1.64 1.04 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 125 T 8.25 4.34 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 126 E 8.87 3.92 0.00 2.03 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.50 0.00 127 A 8.08 4.01 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 R 8.10 4.06 0.00 2.24 2.25 0.00 3.26 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.92 0.00 129 I 7.86 3.91 2.08 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.71 1.15 0.00 0.00 130 Q 8.87 4.10 0.00 2.46 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.82 0.00 0.00 0.00 0.00 0.00 2.42 2.39 0.00 131 V 8.11 3.62 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 1.03 0.00 0.00 132 W 8.54 4.09 0.00 3.49 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 F 9.11 3.79 0.00 3.22 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 Q 8.01 3.98 0.00 2.33 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.82 0.00 0.00 0.00 0.00 0.00 2.41 2.46 0.00 135 N 8.03 4.19 0.00 2.49 2.60 0.00 0.00 6.71 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 R 7.33 3.17 0.00 0.67 0.66 0.00 2.50 0.00 0.00 2.37 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 137 R 7.88 3.79 0.00 2.00 1.89 0.00 2.68 0.00 0.00 2.25 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.66 0.00 138 A 7.37 4.01 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 K 8.21 3.97 0.00 1.75 1.77 0.00 1.52 0.00 0.00 1.41 0.00 0.00 2.83 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.36 1.36 7.81 140 W 8.38 4.09 0.00 3.54 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 R 8.12 4.18 0.00 2.35 2.23 0.00 3.38 0.00 0.00 3.37 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.87 0.00 142 K 7.61 4.35 0.00 1.87 1.88 0.00 1.56 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.55 1.59 7.81 143 Q 7.59 4.35 0.00 2.03 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.88 0.00 0.00 0.00 0.00 0.00 2.41 2.23 0.00 144 E 7.84 4.08 0.00 1.16 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.97 0.00 145 K 6.93 3.77 0.00 0.96 1.50 0.00 1.94 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.29 1.32 7.81 146 V 8.35 3.68 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.89 0.00 0.00